Compound Detail
CHEMBL258888
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Basic Information
| ChEMBL ID | CHEMBL258888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJCVLWYPAHRUPD-NTMALXAHSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
3.65
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 7.1 | 6.888 | 80.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay | 18363348 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of luciferase Photuris pennsylvanica by Promega Kinase-Glo assay | 18363348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18363348 | 10.1021/jm701302v | Luciferin 4-monooxygenase | 5 |
| 18363348 | 10.1021/jm701302v | Unchecked | 2 |
| 31928838 | 10.1016/j.bmcl.2020.126950 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine